ethyl 6-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H16N6O3S/c1-2-21-10(19)6-4-15-11(20)16-7(6)5-22-12-17-8(13)3-9(14)18-12/h3H,2,4-5H2,1H3,(H2,15,16,20)(H4,13,14,17,18)